(3E)-3-(phenylhydrazinylidene)propanenitrile

C9H9N3 — CID 12847960

IUPAC(3E)-3-(phenylhydrazinylidene)propanenitrile
SMILESN#CC/C=N/Nc1ccccc1
InChIInChI=1S/C9H9N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6,8,12H,4H2/b11-8+
InChIKeyVNQAKVXVLQVQLI-DHZHZOJOSA-N
MW159.19 g/mol
LogP2.00
Rot. Bonds3

About (3E)-3-(phenylhydrazinylidene)propanenitrile

(3E)-3-(phenylhydrazinylidene)propanenitrile (PubChem CID 12847960) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (3E)-3-(phenylhydrazinylidene)propanenitrile.

Molecular Properties

Compound Name(3E)-3-(phenylhydrazinylidene)propanenitrile
PubChem CID12847960
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name(3E)-3-(phenylhydrazinylidene)propanenitrile
SMILESN#CC/C=N/Nc1ccccc1
InChIInChI=1S/C9H9N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6,8,12H,4H2/b11-8+
InChIKeyVNQAKVXVLQVQLI-DHZHZOJOSA-N
XLogP2.00
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-aminoethylideneamino]aniline
CID 58684033
N-[(E)-[(5Z)-5-(phenylhydrazinylidene)pentylidene]amino]aniline
CID 92534205
4-(4-anilinophenyl)but-3-enenitrile
CID 90791121
2-[4-bromo-2-[(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 169382164
2-[3-[(Z)-(phenylhydrazinylidene)methyl]indol-1-yl]acetonitrile
CID 126381062
2-[2-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetonitrile
CID 6054346
N-[2-(phenylhydrazinylidene)ethylidene]hydroxylamine
CID 137223545
N-[(Z)-2-phenylethylideneamino]pyridin-4-amine
CID 58975074
2-benzyl-4-(phenylhydrazinylidene)butan-1-ol
CID 139676092
3,5-dichloro-4-[(phenylhydrazinylidene)methyl]benzonitrile
CID 169383531
4-[2-methoxy-5-[(phenylhydrazinylidene)methyl]phenoxy]butanenitrile
CID 169383000
N-(2,2,2-trichloroethylideneamino)aniline
CID 70632285

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(phenylhydrazinylidene)propanenitrile?
The IUPAC name of (3E)-3-(phenylhydrazinylidene)propanenitrile (CID 12847960) is (3E)-3-(phenylhydrazinylidene)propanenitrile.
What is the SMILES notation for (3E)-3-(phenylhydrazinylidene)propanenitrile?
The canonical SMILES for (3E)-3-(phenylhydrazinylidene)propanenitrile is N#CC/C=N/Nc1ccccc1.
What is the InChIKey of (3E)-3-(phenylhydrazinylidene)propanenitrile?
The InChIKey is VNQAKVXVLQVQLI-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H9N3/c10-7-4-8-11-12-9-5-2-1-3-6-9/h1-3,5-6,8,12H,4H2/b11-8+.
What are the key properties of (3E)-3-(phenylhydrazinylidene)propanenitrile?
(3E)-3-(phenylhydrazinylidene)propanenitrile has a molecular weight of 159.19 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(phenylhydrazinylidene)propanenitrile is sourced from PubChem (CID 12847960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).